==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JUN-09 2WMG . COMPND 2 MOLECULE: FUCOLECTIN-RELATED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR M.A.HIGGINS,G.E.WHITWORTH,N.EL WARRY,M.RANDRIANTSOA, . 553 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20367.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 393 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 48 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 21.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 1 2 2 1 0 3 0 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 1 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 0 1 4 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 35 A V 0 0 145 0, 0.0 2,-0.3 0, 0.0 147,-0.1 0.000 360.0 360.0 360.0 132.3 -11.8 33.9 26.2 2 36 A Q - 0 0 178 1,-0.1 2,-0.0 145,-0.1 0, 0.0 -0.658 360.0-108.3 -82.2 139.2 -10.5 30.7 27.8 3 37 A M - 0 0 37 -2,-0.3 146,-0.2 1,-0.1 145,-0.1 -0.324 15.3-139.6 -60.3 142.2 -6.7 30.4 28.3 4 38 A R S S+ 0 0 56 144,-3.8 2,-0.3 1,-0.2 145,-0.1 0.676 91.4 27.3 -77.6 -19.5 -5.0 27.9 26.0 5 39 A T S S- 0 0 25 143,-0.5 2,-0.7 113,-0.1 -1,-0.2 -0.993 75.6-136.7-142.0 135.6 -2.9 26.7 28.9 6 40 A T + 0 0 89 -2,-0.3 2,-0.4 -3,-0.1 0, 0.0 -0.884 31.0 176.9 -92.2 117.4 -3.6 26.7 32.6 7 41 A I + 0 0 14 -2,-0.7 2,-0.3 6,-0.0 256,-0.1 -0.959 23.0 106.7-128.5 113.1 -0.5 27.9 34.4 8 42 A N B > S-A 11 0A 55 3,-1.2 3,-1.1 -2,-0.4 291,-0.1 -0.902 83.4 -69.8-161.2-175.2 -0.3 28.4 38.2 9 43 A N T 3 S+ 0 0 44 1,-0.3 290,-0.9 -2,-0.3 288,-0.1 0.798 134.5 45.9 -59.1 -29.5 1.2 26.8 41.3 10 44 A E T 3 S+ 0 0 132 1,-0.2 -1,-0.3 288,-0.2 252,-0.0 0.586 124.1 35.2 -85.1 -13.9 -1.3 23.9 41.0 11 45 A S B < S+A 8 0A 19 -3,-1.1 -3,-1.2 2,-0.0 -1,-0.2 -0.573 79.3 176.1-142.8 73.1 -0.6 23.6 37.2 12 46 A P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 251,-0.2 -0.226 23.5-123.9 -75.0 170.3 3.1 24.4 36.4 13 47 A L E -b 263 0B 4 249,-2.5 251,-2.9 -8,-0.0 2,-0.6 -0.970 13.3-161.5-125.9 130.9 4.6 24.2 32.9 14 48 A L E -bc 264 48B 0 33,-2.4 35,-2.1 -2,-0.4 2,-0.4 -0.941 11.6-159.8-107.2 119.3 7.5 22.2 31.6 15 49 A L E - c 0 49B 0 249,-3.4 251,-0.2 -2,-0.6 35,-0.2 -0.850 7.1-173.4 -98.7 133.7 9.0 23.3 28.2 16 50 A S E - c 0 50B 2 33,-1.5 35,-2.4 -2,-0.4 2,-0.2 -1.000 22.5-133.5-127.1 124.7 11.1 20.9 26.2 17 51 A P E - c 0 51B 3 0, 0.0 2,-0.4 0, 0.0 35,-0.2 -0.580 18.6-167.1 -96.6 147.7 12.7 22.4 23.1 18 52 A L E - c 0 52B 2 33,-3.0 35,-3.0 -2,-0.2 2,-0.4 -0.952 17.5-145.2-120.5 145.3 13.2 21.4 19.5 19 53 A Y E - c 0 53B 9 -2,-0.4 9,-3.2 9,-0.3 12,-0.1 -0.934 15.3-115.9-120.9 128.7 15.6 23.2 17.1 20 54 A G B -J 27 0C 0 33,-3.1 36,-2.0 -2,-0.4 2,-0.4 -0.296 20.3-161.3 -58.1 134.9 15.3 24.0 13.4 21 55 A N - 0 0 21 5,-2.1 36,-0.1 2,-0.2 7,-0.0 -0.940 17.8-142.0-108.8 141.9 17.7 22.4 10.9 22 56 A D S S+ 0 0 80 -2,-0.4 2,-0.3 34,-0.1 -2,-0.0 -0.015 86.4 40.9 -88.6 31.5 17.9 24.2 7.5 23 57 A N S > S+ 0 0 118 0, 0.0 3,-1.7 0, 0.0 -2,-0.2 -0.928 99.3 16.1-167.2 162.9 18.2 20.7 6.0 24 58 A G T 3 S- 0 0 66 -2,-0.3 4,-0.1 1,-0.3 -3,-0.0 -0.174 124.7 -11.7 63.1-141.9 16.8 17.1 6.3 25 59 A N T 3 S- 0 0 88 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.453 103.0-104.4 -71.7 -2.6 13.5 16.5 8.2 26 60 A G S < S+ 0 0 5 -3,-1.7 -5,-2.1 1,-0.2 2,-0.3 0.412 88.4 96.0 95.8 -1.0 13.9 20.1 9.5 27 61 A L B -J 20 0C 7 -7,-0.3 3,-0.4 4,-0.2 -7,-0.2 -0.948 63.2-130.1-127.0 149.1 15.1 19.4 13.1 28 62 A W S > S+ 0 0 11 -9,-3.2 3,-1.3 -2,-0.3 -9,-0.3 -0.365 82.0 34.6 -90.3 165.0 18.5 19.3 14.7 29 63 A W T 3 S- 0 0 7 1,-0.2 247,-2.8 -2,-0.1 248,-0.3 0.659 121.4 -77.2 63.8 22.0 20.0 16.6 17.0 30 64 A G T 3 S+ 0 0 36 -3,-0.4 -1,-0.2 245,-0.2 2,-0.1 0.650 93.0 142.9 69.8 15.9 18.2 13.8 15.2 31 65 A N < - 0 0 3 -3,-1.3 2,-0.3 245,-0.2 -1,-0.2 -0.462 36.5-157.5 -93.7 159.2 14.9 14.6 16.9 32 66 A T > - 0 0 48 -2,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.936 27.5-123.3-127.1 155.2 11.3 14.5 15.7 33 67 A L H > S+ 0 0 5 -2,-0.3 4,-2.0 2,-0.2 5,-0.2 0.928 115.6 49.5 -60.6 -46.6 8.2 16.3 17.0 34 68 A K H > S+ 0 0 108 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.920 111.3 49.6 -57.4 -47.3 6.4 13.0 17.6 35 69 A G H > S+ 0 0 5 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.825 107.1 56.3 -60.3 -35.5 9.5 11.6 19.4 36 70 A A H < S+ 0 0 0 -4,-2.1 4,-0.5 2,-0.2 3,-0.4 0.937 110.3 42.9 -60.1 -48.7 9.6 14.8 21.6 37 71 A W H >< S+ 0 0 39 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.850 109.9 56.8 -71.0 -33.9 6.0 14.2 22.8 38 72 A E H 3< S+ 0 0 132 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.761 100.1 60.9 -66.4 -24.9 6.5 10.5 23.3 39 73 A A T 3< S+ 0 0 15 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.687 85.5 88.9 -72.4 -20.6 9.4 11.4 25.6 40 74 A I S < S- 0 0 0 -3,-1.0 5,-0.1 -4,-0.5 8,-0.0 -0.706 85.9-123.9 -84.1 118.5 7.0 13.3 27.9 41 75 A P >> - 0 0 35 0, 0.0 4,-2.1 0, 0.0 3,-1.0 -0.211 22.5-112.1 -62.2 157.1 5.6 10.8 30.5 42 76 A E T 34 S+ 0 0 140 1,-0.3 -2,-0.0 2,-0.2 -4,-0.0 0.796 116.2 51.2 -64.7 -34.7 1.8 10.6 30.6 43 77 A D T 34 S+ 0 0 72 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.669 113.6 47.4 -72.7 -18.7 1.4 12.1 34.0 44 78 A V T X4 S+ 0 0 0 -3,-1.0 3,-3.2 1,-0.1 -2,-0.2 0.827 90.4 81.2 -91.7 -33.4 3.6 15.1 32.9 45 79 A K G >< S+ 0 0 29 -4,-2.1 3,-1.9 1,-0.3 -2,-0.1 0.783 84.1 59.8 -44.0 -43.5 1.8 15.8 29.5 46 80 A P G 3 S+ 0 0 93 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.670 115.0 38.8 -61.4 -10.2 -1.1 17.8 31.1 47 81 A Y G < S+ 0 0 62 -3,-3.2 -33,-2.4 -42,-0.1 2,-0.3 0.043 108.8 81.2-125.6 20.2 1.7 20.1 32.3 48 82 A A E < +c 14 0B 6 -3,-1.9 2,-0.3 -35,-0.2 -33,-0.2 -0.881 43.6 172.9-131.0 156.2 4.0 20.1 29.3 49 83 A A E -c 15 0B 2 -35,-2.1 -33,-1.5 -2,-0.3 2,-0.4 -0.965 30.4-111.2-152.2 167.7 4.5 21.6 25.9 50 84 A I E -cd 16 89B 0 38,-2.9 40,-2.3 -2,-0.3 2,-0.4 -0.864 21.0-142.9-103.7 131.4 7.1 21.7 23.2 51 85 A E E -cd 17 90B 2 -35,-2.4 -33,-3.0 -2,-0.4 2,-0.7 -0.805 9.0-154.4 -90.3 132.5 9.2 24.8 22.2 52 86 A L E -cd 18 91B 0 38,-3.4 40,-2.6 -2,-0.4 -33,-0.2 -0.900 13.1-177.5-109.4 101.4 9.9 25.2 18.5 53 87 A H E -c 19 0B 6 -35,-3.0 -33,-3.1 -2,-0.7 3,-0.2 -0.891 20.7-149.3 -97.9 121.3 13.1 27.3 18.0 54 88 A P > + 0 0 0 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 0.825 40.8 154.7 -63.8 -32.2 13.8 27.9 14.3 55 89 A A G > + 0 0 0 1,-0.3 8,-2.5 2,-0.2 3,-1.9 -0.170 67.7 21.0 53.7-111.6 17.5 28.0 15.0 56 90 A K G 3 S+ 0 0 33 -36,-2.0 -1,-0.3 1,-0.3 -35,-0.2 0.616 115.2 70.0 -70.2 -13.8 19.5 27.0 11.8 57 91 A V G < S+ 0 0 12 -3,-2.4 -1,-0.3 -31,-0.1 -2,-0.2 0.718 81.2 96.8 -70.7 -23.5 16.4 28.0 9.7 58 92 A C S < S- 0 0 1 -3,-1.9 9,-0.1 -4,-0.1 -36,-0.1 -0.466 73.3-128.1 -70.3 138.5 17.2 31.6 10.7 59 93 A K S S+ 0 0 86 7,-0.3 7,-0.2 5,-0.2 12,-0.1 -0.994 76.9 7.4-142.5 140.9 19.3 33.5 8.1 60 94 A P S S+ 0 0 112 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.980 136.8 30.1 -71.0 -21.9 21.8 35.2 7.9 61 95 A T S > S- 0 0 73 3,-0.3 3,-1.8 -4,-0.0 5,-0.2 -0.898 84.2-117.0-113.8 130.4 22.4 34.2 11.6 62 96 A S T 3 S+ 0 0 35 -2,-0.5 -6,-0.2 1,-0.2 -7,-0.1 -0.337 99.7 13.8 -59.6 133.6 21.4 30.9 13.2 63 97 A C T 3 S+ 0 0 23 -8,-2.5 -1,-0.2 1,-0.1 -7,-0.1 0.403 97.4 108.9 75.7 0.9 18.9 31.4 16.1 64 98 A I < - 0 0 33 -3,-1.8 2,-2.3 -9,-0.3 -3,-0.3 -0.883 64.6-147.6-105.9 101.1 18.2 35.1 15.1 65 99 A P + 0 0 0 0, 0.0 37,-0.3 0, 0.0 2,-0.2 -0.305 24.8 172.5 -81.1 64.2 14.6 34.9 13.7 66 100 A R - 0 0 99 -2,-2.3 -7,-0.3 -5,-0.2 35,-0.2 -0.519 47.5 -97.8 -62.9 130.0 14.5 37.5 11.0 67 101 A D + 0 0 47 33,-3.2 2,-0.3 -2,-0.2 -1,-0.1 -0.361 62.6 154.5 -52.7 110.4 11.2 37.4 9.1 68 102 A T > - 0 0 18 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.905 57.7-112.7-131.2 167.9 11.8 35.3 5.9 69 103 A K H > S+ 0 0 136 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.879 120.6 50.9 -61.3 -39.2 9.8 33.2 3.5 70 104 A E H > S+ 0 0 104 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.835 107.8 51.3 -70.8 -37.6 11.8 30.2 4.8 71 105 A L H > S+ 0 0 0 2,-0.2 4,-2.4 -5,-0.2 -1,-0.2 0.919 111.5 46.2 -61.6 -50.5 11.2 31.0 8.5 72 106 A R H X S+ 0 0 86 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.900 110.8 54.5 -62.5 -41.8 7.4 31.3 8.0 73 107 A E H X S+ 0 0 105 -4,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.938 109.6 47.5 -52.3 -50.5 7.4 28.1 6.0 74 108 A W H X S+ 0 0 14 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.882 111.0 49.7 -63.2 -43.3 9.2 26.3 8.9 75 109 A Y H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.959 114.4 46.0 -57.7 -50.7 6.8 27.6 11.5 76 110 A V H X S+ 0 0 48 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.894 110.8 52.6 -59.9 -46.1 3.8 26.5 9.4 77 111 A K H X S+ 0 0 109 -4,-3.0 4,-2.4 -5,-0.2 -1,-0.2 0.937 114.6 41.7 -54.1 -48.9 5.4 23.1 8.7 78 112 A M H X S+ 0 0 7 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.872 113.9 51.6 -71.3 -40.3 5.9 22.4 12.4 79 113 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.926 110.1 50.7 -59.0 -46.3 2.5 23.9 13.4 80 114 A E H X S+ 0 0 97 -4,-2.9 4,-2.1 2,-0.2 5,-0.2 0.949 113.5 44.2 -56.0 -51.8 0.9 21.6 10.8 81 115 A E H X S+ 0 0 90 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.916 112.6 52.0 -61.3 -45.2 2.7 18.5 12.1 82 116 A A H <>S+ 0 0 0 -4,-3.0 5,-2.8 1,-0.2 4,-0.4 0.862 109.7 50.7 -59.3 -38.6 1.9 19.5 15.8 83 117 A Q H ><5S+ 0 0 50 -4,-2.4 3,-1.4 2,-0.2 -2,-0.2 0.952 106.9 50.0 -67.4 -51.9 -1.8 19.9 15.0 84 118 A S H 3<5S+ 0 0 98 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.841 120.7 39.6 -56.4 -29.3 -2.3 16.5 13.3 85 119 A L T 3<5S- 0 0 60 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.461 107.6-127.9 -96.7 -3.7 -0.6 15.1 16.4 86 120 A N T < 5 + 0 0 113 -3,-1.4 -3,-0.2 -4,-0.4 -4,-0.1 0.896 49.8 159.4 50.8 47.9 -2.3 17.4 18.9 87 121 A I < - 0 0 2 -5,-2.8 2,-0.3 -6,-0.1 -1,-0.2 -0.885 41.8-127.3 -99.4 120.7 1.0 18.4 20.5 88 122 A P - 0 0 23 0, 0.0 -38,-2.9 0, 0.0 2,-0.3 -0.553 39.4-179.0 -68.1 125.4 0.9 21.8 22.4 89 123 A V E -de 50 117B 0 27,-2.4 29,-2.6 -2,-0.3 30,-0.7 -0.902 26.5-157.1-128.1 154.8 3.7 24.0 21.1 90 124 A F E -de 51 119B 0 -40,-2.3 -38,-3.4 -2,-0.3 2,-0.5 -0.989 20.6-138.8-122.8 141.1 5.2 27.5 21.6 91 125 A L E -de 52 120B 0 28,-1.7 30,-2.7 -2,-0.4 2,-0.9 -0.839 9.5-134.4-100.7 131.5 7.2 29.2 18.9 92 126 A V E + e 0 121B 0 -40,-2.6 30,-0.2 -2,-0.5 -37,-0.1 -0.771 39.6 159.0 -76.8 108.3 10.4 31.2 19.5 93 127 A I E + 0 0 0 28,-1.9 9,-0.4 -2,-0.9 2,-0.3 0.449 56.4 47.6-112.1 -5.9 9.7 34.3 17.5 94 128 A M E + e 0 122B 1 27,-1.6 29,-2.2 -3,-0.1 2,-0.3 -0.999 62.5 138.5-138.3 140.9 12.1 36.8 19.1 95 129 A S E > + e 0 123B 11 -2,-0.3 3,-1.7 27,-0.2 29,-0.2 -0.921 54.8 13.3-174.2 148.3 15.8 36.4 20.0 96 130 A A T 3 S- 0 0 8 28,-2.1 29,-0.2 27,-0.8 28,-0.1 0.772 119.9 -56.4 52.1 43.7 19.2 38.2 20.0 97 131 A G T 3 S+ 0 0 2 1,-0.2 -1,-0.3 27,-0.1 2,-0.2 0.489 81.0 167.0 74.8 6.5 18.0 41.8 19.3 98 132 A E < - 0 0 38 -3,-1.7 -1,-0.2 1,-0.2 3,-0.2 -0.353 17.1-176.5 -62.2 121.0 16.2 41.1 16.1 99 133 A R S S+ 0 0 116 -2,-0.2 2,-0.8 1,-0.2 -1,-0.2 0.709 73.1 62.6 -86.8 -25.9 14.0 44.0 15.2 100 134 A N + 0 0 115 3,-0.0 -33,-3.2 -33,-0.0 -1,-0.2 -0.607 69.9 146.8-108.7 71.6 12.4 42.4 12.1 101 135 A T - 0 0 13 -2,-0.8 -35,-0.1 -35,-0.2 -7,-0.1 -0.332 60.7 -55.5 -96.4 176.9 10.5 39.4 13.4 102 136 A V - 0 0 0 -9,-0.4 -1,-0.2 -37,-0.3 5,-0.1 -0.281 68.7-100.0 -60.9 136.2 7.3 37.9 12.1 103 137 A P > - 0 0 36 0, 0.0 4,-1.7 0, 0.0 3,-0.4 -0.223 19.8-123.9 -60.8 146.8 4.4 40.5 11.9 104 138 A P H > S+ 0 0 29 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.860 113.6 58.9 -51.5 -41.7 1.8 40.6 14.7 105 139 A E H > S+ 0 0 130 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.879 104.8 49.2 -54.3 -47.2 -0.8 40.1 12.0 106 140 A W H > S+ 0 0 16 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.877 110.7 48.8 -60.6 -44.3 0.8 36.8 10.9 107 141 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.921 107.0 57.9 -62.9 -43.4 0.9 35.4 14.5 108 142 A D H X S+ 0 0 26 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.898 107.0 47.1 -51.8 -46.5 -2.7 36.4 14.9 109 143 A E H X S+ 0 0 108 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.862 108.1 55.2 -66.1 -38.2 -3.7 34.2 11.9 110 144 A Q H X S+ 0 0 17 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.911 106.5 52.0 -63.8 -40.6 -1.6 31.3 13.2 111 145 A F H < S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.852 109.2 50.2 -57.7 -41.2 -3.6 31.5 16.5 112 146 A Q H < S+ 0 0 131 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.895 117.2 40.1 -61.6 -43.2 -6.9 31.4 14.5 113 147 A K H < S+ 0 0 141 -4,-2.1 2,-0.6 1,-0.2 -2,-0.2 0.804 113.9 50.7 -81.6 -31.4 -5.8 28.3 12.6 114 148 A Y >< - 0 0 4 -4,-2.4 3,-0.8 -5,-0.2 -1,-0.2 -0.921 46.3-176.5-124.0 111.4 -4.0 26.2 15.2 115 149 A S T 3 S+ 0 0 69 -2,-0.6 -1,-0.1 1,-0.2 -4,-0.1 0.554 88.9 65.4 -76.1 -10.7 -5.4 25.3 18.6 116 150 A V T 3 S+ 0 0 4 -37,-0.1 -27,-2.4 -28,-0.1 2,-1.0 0.666 75.9 98.0 -80.4 -18.5 -2.1 23.7 19.5 117 151 A L E < +e 89 0B 0 -3,-0.8 -27,-0.2 -7,-0.2 3,-0.1 -0.622 47.6 171.5 -74.5 105.3 -0.4 27.1 19.3 118 152 A K E - 0 0 43 -29,-2.6 32,-1.8 -2,-1.0 2,-0.3 0.573 54.3 -67.4 -95.4 -15.1 -0.3 27.9 23.0 119 153 A G E -ef 90 150B 0 -30,-0.7 -28,-1.7 30,-0.2 -1,-0.3 -0.979 51.1 -85.8 156.8-161.4 1.9 31.0 22.7 120 154 A V E -ef 91 151B 0 30,-1.8 32,-2.7 -2,-0.3 2,-0.4 -0.877 22.9-129.6-141.2 165.4 5.4 32.3 21.8 121 155 A L E -ef 92 152B 0 -30,-2.7 -28,-1.9 -2,-0.3 -27,-1.6 -0.959 7.5-164.7-126.7 141.4 8.8 33.1 23.2 122 156 A N E -ef 94 153B 0 30,-2.3 32,-2.6 -2,-0.4 2,-0.4 -0.997 28.6-174.1-110.5 119.6 11.3 35.9 23.3 123 157 A I E -ef 95 154B 3 -29,-2.2 -27,-0.8 -2,-0.5 32,-0.2 -0.967 40.1 -12.6-128.2 122.5 14.7 34.5 24.3 124 158 A A + 0 0 9 30,-2.6 -28,-2.1 -2,-0.4 -1,-0.2 0.976 55.1 142.8 66.5 97.7 18.1 36.1 25.2 125 159 A N > + 0 0 0 -29,-0.2 3,-2.5 -30,-0.2 30,-0.1 0.349 38.4 109.2-137.5 -5.2 18.8 39.8 24.4 126 160 A Y T 3 S+ 0 0 26 1,-0.3 3,-0.4 2,-0.2 29,-0.0 0.740 84.9 46.5 -53.8 -27.9 20.9 41.0 27.4 127 161 A W T 3 S+ 0 0 152 1,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.474 122.2 33.7 -93.9 -3.9 24.1 41.2 25.2 128 162 A I S < S+ 0 0 69 -3,-2.5 -1,-0.2 2,-0.1 -2,-0.2 -0.219 79.1 174.6-150.3 48.7 22.4 43.1 22.3 129 163 A Y + 0 0 75 -3,-0.4 2,-0.3 2,-0.0 -3,-0.1 -0.260 2.7 169.9 -66.6 141.5 19.7 45.4 23.6 130 164 A N > - 0 0 12 -32,-0.1 3,-1.1 -31,-0.0 4,-0.4 -0.954 43.8-110.5-141.8 166.7 17.7 47.9 21.5 131 165 A N T 3 S+ 0 0 116 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 0.425 108.6 64.5 -79.8 1.2 14.7 50.1 22.2 132 166 A Q T 3> S+ 0 0 72 2,-0.1 4,-2.5 -35,-0.1 5,-0.3 0.582 82.9 77.4 -94.9 -13.0 12.3 48.1 19.9 133 167 A L H <> S+ 0 0 0 -3,-1.1 4,-2.3 2,-0.2 5,-0.2 0.940 96.5 43.2 -66.3 -48.2 12.4 44.8 21.9 134 168 A A H > S+ 0 0 0 -4,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.949 117.1 45.6 -61.4 -52.5 10.1 45.9 24.7 135 169 A P H > S+ 0 0 34 0, 0.0 4,-2.4 0, 0.0 -2,-0.2 0.916 114.4 48.5 -57.9 -45.1 7.5 47.6 22.3 136 170 A H H X S+ 0 0 53 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.919 111.9 49.3 -61.8 -45.4 7.5 44.6 19.9 137 171 A S H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.3 -1,-0.2 0.900 108.7 54.3 -57.3 -44.0 7.1 42.2 22.8 138 172 A A H X S+ 0 0 5 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.939 108.7 47.7 -55.0 -50.3 4.2 44.4 24.1 139 173 A K H X S+ 0 0 82 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.924 113.0 48.1 -58.0 -48.4 2.4 44.1 20.7 140 174 A Y H X S+ 0 0 6 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.883 109.1 54.2 -57.3 -42.2 3.0 40.3 20.6 141 175 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.933 104.5 54.7 -57.9 -47.3 1.6 40.1 24.2 142 176 A E H X S+ 0 0 88 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.859 108.4 48.9 -53.6 -38.9 -1.5 42.0 23.1 143 177 A V H X S+ 0 0 5 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.915 109.7 51.8 -66.9 -45.4 -2.0 39.3 20.3 144 178 A C H ><>S+ 0 0 0 -4,-2.3 5,-2.8 1,-0.2 3,-1.0 0.916 107.2 53.0 -55.4 -45.5 -1.5 36.5 22.8 145 179 A A H ><5S+ 0 0 14 -4,-2.6 3,-0.9 1,-0.3 -1,-0.2 0.863 102.4 59.2 -59.2 -38.0 -4.2 38.1 25.1 146 180 A K H 3<5S+ 0 0 126 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.802 115.7 34.5 -61.2 -28.3 -6.6 38.1 22.2 147 181 A Y T <<5S- 0 0 37 -3,-1.0 -1,-0.2 -4,-1.0 -2,-0.2 0.225 112.9-106.6-117.2 14.4 -6.3 34.3 21.9 148 182 A G T < 5S+ 0 0 0 -3,-0.9 -144,-3.8 -4,-0.4 -143,-0.5 0.789 77.4 134.7 65.9 28.0 -5.9 33.2 25.5 149 183 A A < - 0 0 0 -5,-2.8 2,-0.4 -146,-0.2 -30,-0.2 -0.455 52.2-114.7-101.5 175.8 -2.2 32.4 24.8 150 184 A H E -f 119 0B 4 -32,-1.8 -30,-1.8 -2,-0.1 2,-0.6 -0.940 7.9-152.0-115.8 134.2 1.0 33.2 26.7 151 185 A F E -fg 120 181B 0 29,-3.3 31,-2.5 -2,-0.4 2,-0.5 -0.920 20.5-163.6 -94.9 122.7 4.0 35.4 25.8 152 186 A I E -fg 121 182B 0 -32,-2.7 -30,-2.3 -2,-0.6 2,-0.6 -0.952 5.8-168.4-115.4 118.4 7.1 34.0 27.5 153 187 A W E -fg 122 183B 0 29,-2.7 31,-2.4 -2,-0.5 2,-0.6 -0.926 2.1-171.2-110.0 110.2 10.2 36.2 27.9 154 188 A H E +fg 123 184B 0 -32,-2.6 -30,-2.6 -2,-0.6 2,-0.3 -0.909 31.4 131.2 -95.8 114.6 13.5 34.5 29.0 155 189 A D - 0 0 0 29,-2.5 2,-0.3 -2,-0.6 31,-0.3 -0.929 33.5-143.2-152.8-178.5 16.2 37.1 29.7 156 190 A H + 0 0 1 -2,-0.3 4,-0.2 29,-0.2 -31,-0.1 -0.927 41.2 58.5-149.9 164.0 18.8 38.1 32.3 157 191 A E > - 0 0 18 35,-0.3 4,-2.0 -2,-0.3 5,-0.2 0.351 65.3-105.4 88.7 146.1 20.8 40.6 34.3 158 192 A K H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.930 115.3 49.2 -69.5 -49.2 19.6 43.4 36.6 159 193 A W H > S+ 0 0 95 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.874 112.2 51.9 -60.2 -37.7 20.2 46.5 34.4 160 194 A F H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.958 111.5 42.9 -65.5 -53.6 18.4 44.7 31.5 161 195 A W H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.871 114.3 52.3 -63.8 -35.3 15.2 43.7 33.4 162 196 A E H X S+ 0 0 7 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.971 111.2 48.3 -59.5 -49.4 15.2 47.2 35.0 163 197 A T H < S+ 0 0 46 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.814 108.6 53.8 -59.1 -37.8 15.4 48.7 31.5 164 198 A I H >< S+ 0 0 0 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.904 111.4 42.2 -67.8 -44.2 12.7 46.5 30.0 165 199 A M H 3< S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.560 104.4 66.4 -85.6 -7.8 10.0 47.4 32.6 166 200 A N T 3< S+ 0 0 43 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.613 78.3 104.4 -77.2 -17.9 11.0 51.1 32.5 167 201 A D S <> S- 0 0 24 -3,-0.7 4,-2.5 -4,-0.5 5,-0.2 -0.522 71.2-143.6 -65.4 127.9 9.7 51.1 28.9 168 202 A P H > S+ 0 0 97 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.944 96.9 48.3 -60.2 -50.8 6.3 52.8 28.8 169 203 A T H > S+ 0 0 76 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.925 116.0 41.8 -55.6 -52.7 4.8 50.5 26.2 170 204 A F H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.894 113.6 52.6 -66.7 -38.2 5.9 47.3 27.9 171 205 A F H X S+ 0 0 29 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.898 111.6 46.4 -62.3 -40.7 5.0 48.5 31.4 172 206 A E H X S+ 0 0 96 -4,-2.4 4,-1.1 -5,-0.2 -1,-0.2 0.852 113.6 49.3 -68.6 -36.1 1.4 49.4 30.2 173 207 A A H X S+ 0 0 7 -4,-1.9 4,-3.1 -5,-0.2 -2,-0.2 0.860 108.5 51.9 -72.9 -37.6 1.0 46.1 28.4 174 208 A S H X S+ 0 0 0 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.879 107.7 53.7 -64.5 -38.3 2.2 44.1 31.4 175 209 A Q H < S+ 0 0 97 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.820 118.3 35.4 -66.1 -32.0 -0.4 45.9 33.6 176 210 A K H < S+ 0 0 108 -4,-1.1 3,-0.3 1,-0.1 -2,-0.2 0.876 128.0 31.5 -86.0 -42.7 -3.2 45.0 31.2 177 211 A Y H >< + 0 0 50 -4,-3.1 3,-2.1 1,-0.2 4,-0.5 0.061 69.6 130.2-114.6 23.6 -2.1 41.5 30.0 178 212 A H G >< S+ 0 0 65 -4,-0.9 32,-2.8 1,-0.3 3,-1.0 0.766 70.7 64.9 -46.1 -32.5 -0.3 40.1 33.1 179 213 A K G 3 S+ 0 0 116 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.865 107.6 40.8 -61.2 -36.3 -2.5 36.9 32.8 180 214 A N G < S+ 0 0 13 -3,-2.1 -29,-3.3 -30,-0.1 2,-0.4 0.348 100.9 92.4 -93.3 3.0 -0.8 36.2 29.4 181 215 A L E < -g 151 0B 0 -3,-1.0 30,-1.0 -4,-0.5 29,-0.7 -0.855 45.4-177.4-108.7 131.8 2.7 37.2 30.4 182 216 A V E -gh 152 211B 0 -31,-2.5 -29,-2.7 -2,-0.4 2,-0.4 -0.991 9.5-164.7-119.5 118.8 5.5 34.9 31.8 183 217 A L E +gh 153 212B 0 28,-1.3 30,-1.3 -2,-0.5 2,-0.3 -0.891 19.6 176.5-102.7 138.2 8.8 36.7 32.7 184 218 A A E -gh 154 213B 0 -31,-2.4 -29,-2.5 -2,-0.4 30,-0.3 -0.988 26.5-117.5-151.6 146.8 11.6 34.3 33.2 185 219 A T E - h 0 214B 3 28,-2.3 30,-1.2 -2,-0.3 -29,-0.2 -0.153 12.7-168.8 -78.4 172.2 15.4 34.1 33.9 186 220 A K E - h 0 215B 11 -31,-0.3 2,-0.3 28,-0.2 30,-0.1 -0.431 3.4-169.9-160.7 84.5 18.2 32.7 31.7 187 221 A N > + 0 0 10 28,-0.7 3,-1.5 1,-0.2 6,-0.1 0.190 50.0 116.7 -76.8 19.4 21.4 32.4 33.7 188 222 A T T 3 + 0 0 11 -2,-0.3 -1,-0.2 1,-0.2 35,-0.1 0.853 66.8 59.7 -43.0 -49.8 23.6 31.7 30.7 189 223 A P T 3 S- 0 0 19 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.298 99.9-129.8 -81.4 13.0 25.8 34.8 31.0 190 224 A I S < S+ 0 0 34 -3,-1.5 2,-0.3 1,-0.1 147,-0.1 0.813 70.9 105.2 45.9 43.7 27.1 33.9 34.5 191 225 A R S S+ 0 0 133 145,-0.1 -34,-0.2 144,-0.1 -1,-0.1 -0.960 73.6 7.9-138.8 154.5 26.2 37.4 36.0 192 226 A D > + 0 0 13 -2,-0.3 4,-2.4 1,-0.1 -35,-0.3 0.676 65.5 153.5 56.2 32.4 23.5 38.7 38.3 193 227 A D H > S+ 0 0 3 142,-2.5 4,-1.7 2,-0.2 -1,-0.1 0.911 76.4 38.3 -63.2 -45.1 21.9 35.4 39.3 194 228 A A H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.927 117.3 50.4 -68.5 -48.8 20.5 36.5 42.6 195 229 A G H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.862 110.4 50.8 -55.8 -40.8 19.6 40.0 41.4 196 230 A T H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.909 108.4 50.0 -66.9 -45.1 17.7 38.5 38.4 197 231 A D H X S+ 0 0 13 -4,-1.7 4,-2.1 1,-0.2 5,-0.3 0.869 113.2 49.2 -57.9 -40.5 15.7 36.0 40.6 198 232 A S H X S+ 0 0 0 -4,-2.0 152,-2.1 2,-0.2 4,-1.3 0.886 115.1 40.8 -66.0 -46.2 14.7 39.0 42.8 199 233 A I H X S+ 0 0 1 -4,-2.1 4,-1.7 150,-0.2 153,-0.2 0.896 118.7 45.3 -72.4 -43.9 13.6 41.4 40.1 200 234 A V H X S+ 0 0 0 -4,-2.6 4,-1.3 2,-0.2 3,-0.4 0.959 118.1 41.2 -68.8 -53.5 11.8 38.7 38.0 201 235 A S H X S+ 0 0 3 -4,-2.1 4,-2.3 -5,-0.3 3,-0.3 0.884 112.0 61.1 -57.1 -34.8 10.0 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